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August 24, 2019

Using the Adjust tool on Gaussian sca... Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Results » Using the Adjust tool on Gaussian scan intermediates « Previous Next »

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John Keller
Unregistered guest
Posted on Wednesday, December 13, 2017 - 9:14 pm:   

After running a Gaussian coordinate scan I often try to follow particular geometric parameters by pausing the scan animation at a scan intermediate, then clicking atoms to check a bond length or angle. However, when I do this, it seems that WebMO v 17 stops the animation and jumps right to the final structure. The workaround is to click New Job Using This Geometry, or export an archive of the finished scan and examine the structures at my leisure using GaussView or Jmol. Have I just not found the correct procedure?
John Keller
Unregistered guest
Posted on Wednesday, December 13, 2017 - 9:31 pm:   

In answer to my own question, perhaps the v 18 "increased user interaction with animations" addresses this issue.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 583
Registered: 11-2006
Posted on Wednesday, December 13, 2017 - 9:42 pm:   

You are correct! This was a big change in behavior in v18.

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